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3-[4-[3-[3-[2-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazol-5-yl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SpectraBase Compound ID EtqODF6u3H1
InChI InChI=1S/C42H46F6N6O10/c1-25-17-29(37-49-39(63-53-37)41(43,44)45)18-26(2)35(25)59-9-5-7-33-21-31(51-61-33)23-57-15-13-55-11-12-56-14-16-58-24-32-22-34(62-52-32)8-6-10-60-36-27(3)19-30(20-28(36)4)38-50-40(64-54-38)42(46,47)48/h17-22H,5-16,23-24H2,1-4H3
InChIKey UWOFHSMLIHPLSU-UHFFFAOYSA-N
Mol Weight 908.9 g/mol
Molecular Formula C42H46F6N6O10
Exact Mass 908.317961 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFNSmX2fbIJ
Name 3-[4-[3-[3-[2-[2-[2-[[5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazol-5-yl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46F6N6O10
InChI InChI=1S/C42H46F6N6O10/c1-25-17-29(37-49-39(63-53-37)41(43,44)45)18-26(2)35(25)59-9-5-7-33-21-31(51-61-33)23-57-15-13-55-11-12-56-14-16-58-24-32-22-34(62-52-32)8-6-10-60-36-27(3)19-30(20-28(36)4)38-50-40(64-54-38)42(46,47)48/h17-22H,5-16,23-24H2,1-4H3
InChIKey UWOFHSMLIHPLSU-UHFFFAOYSA-N
Literature Reference Author G.Y.KRIPPNER,D.K.CHALMERS,P.C.STANISLAWSKI,S.P.TUCKER,K.G.WA TSON
Literature Reference Citation AUSTR.J.CHEM.,57,553(2004)
Literature Reference DOI 10.1071/CH03295
Solvent ACETONE-D6
Source File Reference UWSI20666